Geometry & MOs

Info

ID:	10422
PubChem CID:	101584
Reduced:	ClN2O5C22H33 (1)
Stoich.:	AB2C5D22E33 (1)
Weight, g/mol:	440.2078
ΔH_f, kcal/mol:	-251.26
Dipole, Da:	4.64
IP(EA), eV:	-8.36(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(diethylcarbamoyl)-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl] acetate;hydrochloride

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1CN2CCC3=CC(=C(C=C3C2CC1OC(=O)C)OC)OC.Cl

DOS

IR

Vibrations